Vitas-M small molecule compound
N-[(4-{4-[(4-chlorophenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide
Catalog ID
STK155668
SMILES S=C(NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCCC1)Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(cc1)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 C29H29ClN6O4S MW 593.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29ClN6O4S/c30-22-6-3-20(4-7-22)28(38)35-17-15-33(16-18-35)24-10-8-23(9-11-24)31-29(41)32-27(37)21-5-12-25(26(19-21)36(39)40)34-13-1-2-14-34/h3-12,19H,1-2,13-18H2,(H2,31,32,37,41)InChIKey
KMKYBHIYONLYQD-UHFFFAOYSA-NSynonyms
C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)Cl)(N+)(=O)(O)
InChI=1SC29H29ClN6O4Sc30226320(4722)28(38)35171533(161835)2410823(91124)3129(41)3227(37)2151225(26(1921)36(39)40)3413121434h31219H121318H2(H231323741)
MFCD05997580
N((4(4((4CHLOROPHENYL)CARBONYL)PIPERAZIN1YL)PHENYL)CARBAMOTHIOYL)3NITRO4(PYRROLIDIN1YL)BENZAMIDE
N((4(4(4CHLOROBENZOYL)PIPERAZIN1YL)PHENYL)CARBAMOTHIOYL)3NITRO4PYRROLIDIN1YLBENZAMIDE
S=C(NC(=O)c1ccc(c(c1)(N+)(=O)(O))N1CCCC1)Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(cc1)Cl
ZINC000059608611
ZINC59608611
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