Vitas-M small molecule compound

N-{4-[chloro(difluoro)methoxy]phenyl}-2-{[7-(3,4-diethoxybenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide

Catalog ID
STK679747
SMILES CCOc1cc(ccc1OCC)Cn1c(SCC(=O)Nc2ccc(cc2)OC(Cl)(F)F)nc2c1c(=O)n(c(=O)n2C)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 C27H28ClF2N5O6S MW 624.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClF2N5O6S/c1-5-39-19-12-7-16(13-20(19)40-6-2)14-35-22-23(33(3)26(38)34(4)24(22)37)32-25(35)42-15-21(36)31-17-8-10-18(11-9-17)41-27(28,29)30/h7-13H,5-6,14-15H2,1-4H3,(H,31,36)
InChIKey
QALQRYCEEANHQK-UHFFFAOYSA-N
Synonyms

CCOC1=C(C=C(C=C1)CN2C3=C(N=C2SCC(=O)NC4=CC=C(C=C4)OC(F)(F)Cl)N(C(=O)N(C3=O)C)C)OCC
InChI=1SC27H28ClF2N5O6Sc15391912716(1320(19)4062)14352223(33(3)26(38)34(4)24(22)37)3225(35)421521(36)311781018(11917)4127(2829)30h713H561415H214H3(H3136)
MFCD03765929
N(4(chloro(difluoro)methoxy)phenyl)2((7(34diethoxybenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetamide
N(4(CHLORO(DIFLUORO)METHOXY)PHENYL)2(7((34DIETHOXYPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)SULFANYLACETAMIDE
ZINC000098005108
ZINC98005108

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Available files

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