Vitas-M small molecule compound
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}-N-(3-methoxyphenyl)acetamide
Catalog ID
STK542272
SMILES COc1cccc(c1)NC(=O)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 C29H29N5O4S2 MW 575.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O4S2/c1-29(2)15-21-22(16-38-29)40-26-24(21)25(36)33(13-12-18-8-5-4-6-9-18)27-31-32-28(34(26)27)39-17-23(35)30-19-10-7-11-20(14-19)37-3/h4-11,14H,12-13,15-17H2,1-3H3,(H,30,35)InChIKey
JPPYNUUECYBVIC-UHFFFAOYSA-NSynonyms
2((77dimethyl5oxo4(2phenylethyl)4569tetrahydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)N(3methoxyphenyl)acetamide
2((77dimethyl5oxo4phenethyl5679tetrahydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)N(3methoxyphenyl)acetamide
CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)NC5=CC(=CC=C5)OC)CCC6=CC=CC=C6)C
InChI=1SC29H29N5O4S2c129(2)152122(163829)402624(21)25(36)33(1312188546918)27313228(34(26)27)391723(35)30191071120(1419)373h41114H12131517H213H3(H3035)
MFCD03305288
ZINC000001788925
ZINC01788925
ZINC1788925
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