Vitas-M small molecule compound
N-benzyl-2-{[4-(4-methoxyphenyl)-5-oxo-7-(propan-2-yl)-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}propanamide
Catalog ID
STK539388
SMILES COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CC(OCc1s2)C(C)C)SC(C(=O)NCc1ccccc1)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 C30H31N5O4S2 MW 589.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N5O4S2/c1-17(2)23-14-22-24(16-39-23)41-28-25(22)27(37)34(20-10-12-21(38-4)13-11-20)29-32-33-30(35(28)29)40-18(3)26(36)31-15-19-8-6-5-7-9-19/h5-13,17-18,23H,14-16H2,1-4H3,(H,31,36)InChIKey
CAOHITLBQKSZKF-UHFFFAOYSA-NSynonyms
CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SC(C)C(=O)NCC5=CC=CC=C5)C6=CC=C(C=C6)OC
InChI=1SC30H31N5O4S2c117(2)23142224(163923)412825(22)27(37)34(20101221(384)131120)29323330(35(28)29)4018(3)26(36)3115198657919h513171823H1416H214H3(H3136)
MFCD03008527
Nbenzyl2((4(4methoxyphenyl)5oxo7(propan2yl)4569tetrahydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)propanamide
Nbenzyl2((7isopropyl4(4methoxyphenyl)5oxo5679tetrahydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)propanamide
ZINC000001775171
ZINC000001775178
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