Vitas-M small molecule compound
6-({4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl}carbonyl)cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK483217
SMILES OC(=O)C1CC=CCC1C(=O)N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-]
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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 C21H20ClN3O6S MW 477.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN3O6S/c22-17-15-6-5-12(25(30)31)11-16(15)32-18(17)20(27)24-9-7-23(8-10-24)19(26)13-3-1-2-4-14(13)21(28)29/h1-2,5-6,11,13-14H,3-4,7-10H2,(H,28,29)InChIKey
FKKSBXOUJHIMBA-UHFFFAOYSA-NSynonyms
6((4((3chloro6nitro1benzothiophen2yl)carbonyl)piperazin1yl)carbonyl)cyclohex3ene1carboxylicacid
6((4((3CHLORO6NITROBENZO(B)THIOPHEN2YL)CARBONYL)PIPERAZINYL)CARBONYL)CYCLOHEX3ENECARBOXYLICACID
6(4(3chloro6nitro1benzothiophene2carbonyl)piperazine1carbonyl)cyclohex3ene1carboxylicacid
C1CN(CCN1C(=O)C2CC=CCC2C(=O)O)C(=O)C3=C(C4=C(S3)C=C(C=C4)(N+)(=O)(O))Cl
InChI=1SC21H20ClN3O6Sc2217156512(25(30)31)1116(15)3218(17)20(27)249723(81024)19(26)13312414(13)21(28)29h1256111314H34710H2(H2829)
MFCD07095811
OC(=O)C1CC=CCC1C(=O)N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)(N+)(=O)(O)
ZINC000013324008
ZINC000013324015
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