Vitas-M small molecule compound
N-(2,4-dichlorophenyl)-2-{[7,7-dimethyl-5-oxo-4-(2-phenylethyl)-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Catalog ID
STK542429
SMILES O=C(Nc1ccc(cc1Cl)Cl)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CC(OC3)(C)C
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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 C28H25Cl2N5O3S2 MW 614.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25Cl2N5O3S2/c1-28(2)13-18-21(14-38-28)40-25-23(18)24(37)34(11-10-16-6-4-3-5-7-16)26-32-33-27(35(25)26)39-15-22(36)31-20-9-8-17(29)12-19(20)30/h3-9,12H,10-11,13-15H2,1-2H3,(H,31,36)InChIKey
WCFFGPXGZNTNPQ-UHFFFAOYSA-NSynonyms
CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)NC5=C(C=C(C=C5)Cl)Cl)CCC6=CC=CC=C6)C
InChI=1SC28H25Cl2N5O3S2c128(2)131821(143828)402523(18)24(37)34(1110166435716)26323327(35(25)26)391522(36)31209817(29)1219(20)30h3912H10111315H212H3(H3136)
MFCD03304070
N(24dichlorophenyl)2((77dimethyl5oxo4(2phenylethyl)4569tetrahydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetamide
N(24dichlorophenyl)2((77dimethyl5oxo4phenethyl5679tetrahydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetamide
ZINC000102432785
ZINC102432785
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