Vitas-M small molecule compound
2-[(3a'S,6a'R)-7-chloro-5'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-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]acetamide
Catalog ID
STK578346
SMILES N#Cc1c(sc2c1CCCC2)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(=O)N)C(=O)Nc2c1cc(C)cc2Cl
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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 C25H22ClN5O4S MW 524.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN5O4S/c1-10-6-13-20(14(26)7-10)29-24(35)25(13)19-18(15(30-25)8-17(28)32)21(33)31(22(19)34)23-12(9-27)11-4-2-3-5-16(11)36-23/h6-7,15,18-19,30H,2-5,8H2,1H3,(H2,28,32)(H,29,35)/t15?,18-,19+,25?/m1/s1InChIKey
HPGWYRZQQCQUGN-RKXQTWMOSA-NSynonyms
958986-53-32((3aR6aS)7chloro5(3cyano4567tetrahydro1benzothiophen2yl)5methyl246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)1yl)acetamide
2((3aS6aR)7chloro5(3cyano4567tetrahydro1benzothiophen2yl)5methyl246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)acetamide
2((3aS6aR)7chloro5(3cyano4567tetrahydrobenzo(b)thiophen2yl)5methyl246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)acetamide
958986533
CC1=CC(=C2C(=C1)C3(C4C(C(N3)CC(=O)N)C(=O)N(C4=O)C5=C(C6=C(S5)CCCC6)C#N)C(=O)N2)Cl
InChI=1SC25H22ClN5O4Sc11061320(14(26)710)2924(35)25(13)1918(15(3025)817(28)32)21(33)31(22(19)34)2312(927)11423516(11)3623h6715181930H258H21H3(H22832)(H2935)t15?1819+25?m1s1
MFCD06611743
N#Cc1c(sc2c1CCCC2)N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2CC(=O)N)C(=O)Nc2c1cc(C)cc2Cl
ZINC000038153645
ZINC000038153651
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