Vitas-M small molecule compound
3-[(3a'S,6a'R)-6-chloro-5'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-methyl-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanamide
Catalog ID
STK578446
SMILES N#Cc1c(sc2c1CCCC2)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)N)C(=O)Nc2c1ccc(c2C)Cl
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H24ClN5O4S MW 538.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClN5O4S/c1-11-15(27)7-6-14-21(11)30-25(36)26(14)20-19(16(31-26)8-9-18(29)33)22(34)32(23(20)35)24-13(10-28)12-4-2-3-5-17(12)37-24/h6-7,16,19-20,31H,2-5,8-9H2,1H3,(H2,29,33)(H,30,36)/t16?,19-,20+,26?/m1/s1InChIKey
LFVZVNRHLHUCRK-OANFGYCUSA-NSynonyms
1013885-23-81013885238
3((3aR6aS)6chloro5(3cyano4567tetrahydro1benzothiophen2yl)7methyl246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)1yl)propanamide
3((3aS6aR)6chloro5(3cyano4567tetrahydro1benzothiophen2yl)7methyl246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanamide
3((3aS6aR)6chloro5(3cyano4567tetrahydrobenzo(b)thiophen2yl)7methyl246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanamide
CC1=C(C=CC2=C1NC(=O)C23C4C(C(N3)CCC(=O)N)C(=O)N(C4=O)C5=C(C6=C(S5)CCCC6)C#N)Cl
InChI=1SC26H24ClN5O4Sc11115(27)761421(11)3025(36)26(14)2019(16(3126)8918(29)33)22(34)32(23(20)35)2413(1028)12423517(12)3724h6716192031H2589H21H3(H22933)(H3036)t16?1920+26?m1s1
MFCD06599922
N#Cc1c(sc2c1CCCC2)N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2CCC(=O)N)C(=O)Nc2c1ccc(c2C)Cl
ZINC000002221472
ZINC000002221476
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