Vitas-M small molecule compound
N-[4-(4-benzyl-5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]-2,4-dichlorobenzamide
Catalog ID
STK119939
SMILES O=C(NC1CCCCC1)CSc1nnc(n1Cc1ccccc1)c1ccc(cc1)NC(=O)c1ccc(cc1Cl)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 C30H29Cl2N5O2S MW 594.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29Cl2N5O2S/c31-22-13-16-25(26(32)17-22)29(39)34-24-14-11-21(12-15-24)28-35-36-30(37(28)18-20-7-3-1-4-8-20)40-19-27(38)33-23-9-5-2-6-10-23/h1,3-4,7-8,11-17,23H,2,5-6,9-10,18-19H2,(H,33,38)(H,34,39)InChIKey
BFCMIXQXEKRISW-UHFFFAOYSA-NSynonyms
C1CCC(CC1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(C=C4)NC(=O)C5=C(C=C(C=C5)Cl)Cl
InChI=1SC30H29Cl2N5O2Sc3122131625(26(32)1722)29(39)3424141121(121524)28353630(37(28)18207314820)401927(38)332395261023h13478111723H2569101819H2(H3338)(H3439)
MFCD03786072
N(4(4BENZYL5((2(CYCLOHEXYLAMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)PHENYL)24DICHLOROBENZAMIDE
N(4(4BENZYL5(2(CYCLOHEXYLAMINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)PHENYL)24DICHLOROBENZAMIDE
ZINC000008438176
ZINC08438176
ZINC8438176
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